[4-[2-[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-nitrobenzoate

Systemtic Name: [4-[2-[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]oxyethanoyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[2-[4-(4-ethoxyanilino)-4-oxo-butanoyl]oxyacetyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[2-[4-(4-ethoxyanilino)-1,4-dioxobutoxy]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]oxyacetyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[2-[4-keto-4-(p-phenetidino)butanoyl]oxyacetyl]phenyl] ester Formula: C27H24N2O9 MolecularWeight: 520.48746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O9/c1-2-36-22-13-7-20(8-14-22)28-25(31)15-16-26(32)37-17-24(30)18-5-11-23(12-6-18)38-27(33)19-3-9-21(10-4-19)29(34)35/h3-14H,2,15-17H2,1H3,(H,28,31)